| Properties | Image |
|---|
| MNX_ID | MNXM108053 |
 |
| reference | chebi:66760 |
| formula | C27H40O4 |
| global charge | 0 |
| mol weight | 428.613 |
| InChIKey | LJDGRLBUXSKFJE-RILXQCJSSA-N |
| InChI | InChI=1S/C27H40O4/c1-19(10-8-12-21(3)14-16-25(29)27(5,6)31)9-7-11-20(2)13-15-23-18-24(28)17-22(4)26(23)30/h9,12-13,17-18,25,29,31H,7-8,10-11,14-16H2,1-6H3/b19-9+,20-13+,21-12+/t25-/m1/s1 |
| SMILES | CC1=CC(=O)C=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C27H40O4/c1-19(10-8-12-21(3)14-16-25(29)27(5,6)31)9-7-11-20(2)13-15-23-18-24(28)17-22(4)26(23)30/h9,12-13,17-18,25,29,31H,7-8,10-11,14-16H2,1-6H3/b19-9+,20-13+,21-12+/t25-/m1/s1 |
 |
| SMILES (mnx) | [CH3:1]/[C:19](=[CH:9]\[CH2:7][CH2:11]/[C:20]([CH3:2])=[CH:13]/[CH2:15][C:23]1=[CH:18][C:24](=[O:28])[CH:17]=[C:22]([CH3:4])[C:26]1=[O:30])[CH2:10][CH2:8]/[CH:12]=[C:21](\[CH3:3])[CH2:14][CH2:16][C@H:25]([C:27]([CH3:5])([CH3:6])[OH:31])[OH:29] |
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